0 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.1 CC1=CN=C(C=N1)CNN PH019269 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.1 COCC1=CC=C(C=C1)O S392596 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 CSC1=NC=C(C=N1)O S217581 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.1 NCC1=NC=C(N=C1)Cl CDS021292 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.1 C#CCOC1=CC=C(C=C1)F CDS024010 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.1 C#CCSC1=CC=C(C=C1)Br CDS024016 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.1 CC1=CC=C(C=C1)OCC#N S114081 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,1,0,0,0,0|0,0,1]=2 90 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [0,1,0,0,0,0|0,0,2]=3 91 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [0,1,0,0,0,0|0,0,2]=3 92 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [0,1,0,0,0,0|0,0,2]=3 93 B11R1.1 N#CCOC1=CC=C(C=C1)Br VBP00033 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.1 N#CCSC1=CC=C(C=C1)Cl EME00140 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.1 N#CSCC1=CC=C(C=C1)Br L308307 [0,1,0,0,0,0|1,0,2]=4 96 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [0,1,0,0,0,0|0,0,0]=1 100 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,0,0|1,0,1]=3 117 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [0,1,0,0,0,0|0,0,2]=3 148 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.81 O/N=C/C1=C(C=C(C=C1)O)O PH010880 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.83 CCC1=CN=C(C=C1)CCO CDS000406 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [0,1,0,0,0,0|1,1,0]=3 174 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.192 CC1=CC(=CC=C1O)SC#N CDS016664 [0,1,0,0,0,0|1,0,2]=4 178 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.192 CCC[N+]1=CC=C(C(=C1)C)C S635464 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.192 CCOC1=CC=C(C(=C1)N)Cl PH004977 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.192 CCOC1=CC=C(C(=C1)N)N CDS007491 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [0,1,0,0,0,0|0,0,2]=3 186 B11R1.192 OCCC1=CC(=C(C=C1)F)Cl CDS022215 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [0,1,0,0,0,0|1,0,0]=2 188 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [0,0,0,1,0,0|3,0,0]=4 189 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,0,0,1,0,0|3,0,0]=4 190 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,0,0,1,0,0|2,0,1]=4 191 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,0,0,1,0,0|3,0,0]=4 192 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,0,0,1,0,0|2,0,1]=4 193 B11R2.36 ClC1=NC2=C(C=C1)CCC2 CBR01977 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,0,0,1,0,0|3,0,0]=4 195 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,0,0,1,0,0|2,0,1]=4 196 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,0,0,1,0,0|1,0,0]=2 197 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,0,0,1,0,0|1,0,0]=2 198 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,0,0,1,0,0|2,0,0]=3 202 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,0,0,1,0,0|3,0,0]=4 203 B11R2.36 O=C1C=CC2=C(N1)CCC2 T327182 [0,0,0,1,0,0|2,0,1]=4 204 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [0,0,0,1,0,0|2,0,1]=4 205 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,0,0,1,0,0|1,0,2]=4 206 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [0,0,0,1,0,0|1,0,2]=4 207 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [0,0,0,1,0,0|3,0,0]=4 208 B11R2.742 O=C1C=CC2(C=C1)CCO2 T273562 [0,0,0,1,0,0|1,0,2]=4 209 B9R1.7 CC1=CNC(=N1)CCN PH019292 [0,0,0,0,1,0|3,0,0]=4 210 B9R1.7 CC1=CSC(=N1)CCN OTV000992 [0,0,0,0,1,0|3,0,0]=4 211 B9R1.7 CCCC1=CC=C(O1)C L159743 [0,0,0,0,1,0|3,0,0]=4 212 B9R1.7 NCCN1C=C(C=N1)Cl CBR00104 [0,0,0,0,1,0|3,0,0]=4 213 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,2]=4 215 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,2]=4 216 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,2]=4 217 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|0,0,0]=2 219 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|1,0,0]=3 220 B8R1.2 NCC1=CN=CC=N1 CDS009594 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.3 CC1=CNC(=O)C=C1 T162647 [2,0,0,0,0,0|1,0,1]=4 225 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [2,0,0,0,0,0|1,0,1]=4 226 B8R1.3 NC1=CC=C(C=C1)F S414190 [2,0,0,0,0,0|1,0,0]=3 227 B8R1.3 NC1=CC=C(C=C1)N S706698 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [2,0,0,0,0,0|1,0,0]=3 229 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [2,0,0,0,0,0|1,1,0]=4 230 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.3 CNC1=NC=C(C=C1)CN PH019550 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [1,1,0,0,0,0|0,1,0]=3 240 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.3 N#CC1=CC=C(C=N1)CN CDS007218 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [1,1,0,0,0,0|0,0,1]=3 244 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [1,1,0,0,0,0|0,0,0]=2 245 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,1,0,0,0,0|0,1,0]=3 249 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,1,0,0,0,0|1,1,0]=4 251 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|0,0,1]=3 254 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|0,0,1]=3 255 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|0,0,1]=3 256 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|0,0,1]=3 258 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,1,0,0,0,0|0,0,0]=2 279 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [1,1,0,0,0,0|0,0,2]=4 295 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.176 O=C1C=C(OC=C1O)CCl S217867 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|0,0,0]=2 305 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.4 CC1=NC=CC=C1CNN PH019261 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.4 NCCN1C=CC=CC1=O PH019084 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.4 NCCN1C=CC=CC1=O T300829 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.4 O=C1C=CC=CN1CCO T161284 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|0,0,0]=2 349 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,1,0,0,0,0|0,0,1]=3 354 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.17 CNCCC1=NC=CC=C1 R750492 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.17 COCCC1=CC=NC=C1 PH007374 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [1,1,0,0,0,0|0,0,2]=4 365 B10R1.17 NCCCC1=CN=CN=C1 PH019029 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,1,0,0,0,0|0,0,0]=2 367 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.1 BrCCCOC1=CC=C(C=C1)Br PH000245 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.1 CC1=CC=C(C=C1)CCCCO JRD0946 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.1 CC1=CC=C(C=C1)NCCC#N S745715 [0,2,0,0,0,0|1,0,1]=4 382 B12R1.1 CC1=CC=C(C=C1)OCCCBr PH011050 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.1 CC1=CC=C(C=C1)OCCNN PH019543 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.1 CC1=CC=C(C=C1)SCCC#N PH009968 [0,2,0,0,0,0|1,0,1]=4 385 B12R1.1 CC1=CN=C(C=C1)NCCCN CBR01354 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.1 CCC/C=C/C1=CC=C(C=C1)Cl PH008528 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.1 CNCCOC1=CC=C(C=C1)C PH012059 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.1 ClCCCSC1=CC=C(C=C1)Br S799203 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.1 ClCCCSC1=CC=C(C=C1)Cl S803723 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.1 ClCCNCC1=CC=C(C=C1)Cl S377902 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.1 ClCCSCC1=CC=C(C=C1)Cl S637939 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.1 ClCNCNC1=CC=C(C=C1)I R433829 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.1 FC1=CC=C(C=C1)OCCCBr PH011047 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.1 N#CCCNC1=CC=C(C=C1)Br S745731 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.1 N#CCCNC1=CC=C(C=C1)Cl S742872 [0,2,0,0,0,0|1,0,1]=4 399 B12R1.1 N#CCCSC1=CC=C(C=C1)Cl S614424 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.1 NCCCOC1=CC=C(C=C1)Cl PH011995 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.1 O=CNCCC1=CC=C(C=C1)Br PH000598 [0,2,0,0,0,0|1,0,0]=3 402 B12R1.1 O=CNCCC1=CC=C(C=C1)O PH010511 [0,2,0,0,0,0|0,0,0]=2 403 B12R1.1 OCC/N=C/C1=CC=C(C=C1)Cl S753289 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.1 OCC/N=C/C1=CC=C(C=C1)O S691011 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.1 OCCCCC1=CC=C(C=C1)Br JRD0948 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.1 OCCCCC1=CC=C(C=C1)Cl JRD0947 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.1 OCCCCC1=CC=C(C=C1)F JRD0949 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.1 OCCCOC1=CC=C(C=C1)F PH016159 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.1 OCCNCC1=CC=C(C=C1)Cl S378291 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.1 OCCSCC1=CC=C(C=C1)Cl S614092 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.16 C=CCC(N)C1=CC=C(C=C1)F PH014951 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl S681105 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [0,2,0,0,0,0|0,0,0]=2 424 B12R1.16 O=C(CCBr)C1=CC=C(C=C1)Br OTV000778 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.16 O=S(CCO)C1=CC=C(C=C1)Cl T252719 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.21 CC(C)NCC1=CC=C(C=C1)Cl PH011090 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,2,0,0,0,0|0,0,0]=2 433 B12R1.21 CN(C)CSC1=CC=C(C=C1)Cl PH007326 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,2,0,0,0,0|1,0,1]=4 435 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl PH012544 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.21 N=C(N)SCC1=CC=C(C=C1)F T165948 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,2,0,0,0,0|0,0,0]=2 439 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.21 NC(=[S+]CC1=CC=C(C=C1)Cl)N R278254 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,2,0,0,0,0|0,0,0]=2 445 B12R1.49 N/C(=N/O)/CC1=CC=C(C=C1)Br PH014888 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [0,2,0,0,0,0|0,0,0]=2 447 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.69 CC1=CC(=C(C=C1)OCCN)Br R414468 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.69 CC1=CC(=C(C=C1)OCCN)C R414352 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.69 ClC1=CC(=C(C=C1)OCCBr)Cl VBP00009 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.69 NC1=CC(=C(C=C1)SCCO)N R284440 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.69 NC1=CC=C(C(=C1)N)OCCO S457817 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.69 OCCCC1=C(C=C(C=C1)Cl)Cl PH017193 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.71 C#CCOC1=CC=C(C=C1)OC CDS024011 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.71 C(=O)C1=CC=C(C=C1)OCCBr S428620 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [0,2,0,0,0,0|1,0,1]=4 458 B12R1.71 CCC1=CC=C(C=C1)OCCN R414301 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.71 CCCCC1=CC=C(C=C1)CN CDS001572 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.71 CCNCC1=CC=C(C=C1)OC PH009847 [0,2,0,0,0,0|1,0,0]=3 461 B12R1.71 COC1=CC=C(C=C1)OCC#N PH011081 [0,2,0,0,0,0|0,0,2]=4 462 B12R1.71 COC1=CC=C(C=C1)OCCBr PH009793 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.71 COC1=CC=C(C=C1)OCCO S538531 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.71 O=CC1=CC=C(C=C1)OCCO PH010575 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.71 [C-]#[N+]CCC1=CC=C(C=C1)OC PH015493 [0,2,0,0,0,0|0,0,1]=3 466 B12R1.385 CC1=CC(=CC=C1Cl)OCCN CDS018207 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.385 CC1=CC(=CC=C1Cl)OCCO S538655 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.385 CC1=CC=C(C=C1C)OCCBr PH011037 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.385 CCCCC1=CC(=C(C=C1)N)C CDS010548 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.385 CCCOC1=CC=C(C(=C1)C)N CDS012022 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.385 CCNCC1=CC(=C(C=C1)Cl)Cl PH010574 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.4 C#CC1=CC=C(C=C1)CC(C)C S683094 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.4 CC(C)CC1=CC=C(C=C1)C#N PH017291 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,2,0,0,0,0|0,0,1]=3 476 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,2,0,0,0,0|0,0,1]=3 477 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.4 COC1=CC=C(C=C1)NC(=N)N S614491 [0,2,0,0,0,0|1,0,1]=4 479 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.4 COC1=CC=C(C=C1)NC(=S)N S223034 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.19 N=C(N)CC1=CC(=C(C=C1)F)F PH015013 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Cl R278378 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.233 CN(N)CC1=CC=C(C=C1Cl)Cl PH001217 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.233 NC(=S)CC1=C(C=C(C=C1)F)Cl PH015040 [0,2,0,0,0,0|1,0,1]=4 488 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [0,2,0,0,0,0|1,0,0]=3 489 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.5 COC1=CC=C(C=C1)C(=S)NN T121355 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [0,2,0,0,0,0|0,0,0]=2 493 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CN PH017796 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl OTV000618 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CBr T332704 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Br S497274 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [0,2,0,0,0,0|1,0,1]=4 498 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [0,2,0,0,0,0|1,0,1]=4 499 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.1703 NC(CO)C1=CC=C(C=C1F)F PH018503 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.1703 OC(CCl)C1=CC=C(C=C1Cl)Cl R426784 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.114 CCC1=CC=C(C(=C1)F)CCN PH018892 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.114 CCOC1=C(C=C(C=C1)CO)Cl CBR00273 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.113 C=CCC1=CC=C(C=C1)C(=O)O CDS019298 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.113 CN(C)C1=CC=C(C=C1)CCN CDS010287 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.113 CS(=O)C1=CC=C(C=C1)CCO S324078 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O OTV000788 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.113 N#CCC1=CC=C(C=C1)B(O)O CDS000923 [0,2,0,0,0,0|0,0,2]=4 514 B12R1.113 NCCC1=CC=C(C=C1)[N+](=O)[O-] OTV000173 [0,2,0,0,0,0|0,0,1]=3 515 B12R1.116 CCOC1=CC=C(C=C1)CC#N PH011507 [0,2,0,0,0,0|0,0,2]=4 516 B12R1.116 CCOC1=CC=C(C=C1)CCN PH017152 [0,2,0,0,0,0|0,0,0]=2 517 B12R1.116 CCOC1=CC=C(C=C1)CCO PH011481 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.116 OCCC1=CC=C(C=C1)CCO CDS000269 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.116 OCCC1=CC=C(C=C1)N=C=S PH000382 [0,2,0,0,0,0|1,1,0]=4 520 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [0,2,0,0,0,0|1,0,0]=3 521 B12R1.288 COC1=CC=C(C=C1Cl)CCN CDS008271 [0,2,0,0,0,0|0,0,0]=2 522 B12R1.286 CCCC1=CC=C(C(=C1)C=O)O ASX00135 [0,2,0,0,0,0|1,0,0]=3 523 B12R1.286 CCOC1=CC=C(C(=C1)C=O)O ASX00006 [0,2,0,0,0,0|2,0,0]=4 524 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,1,0,0|1,0,0]=3 525 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,1,0,0|2,0,0]=4 526 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,1]=4 527 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 T263664 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.24 BrC1=CC=C2CCNCC2=C1 CDS020020 [0,1,0,1,0,0|1,0,0]=3 529 B12R2.24 BrC1=CC=C2CNCCC2=C1 CDS010128 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.24 BrC1=CC=C2OCCNC2=C1 VBP00109 [0,1,0,1,0,0|1,0,0]=3 531 B12R2.24 BrC1=CC=C2SCCNC2=C1 VBP00120 [0,1,0,1,0,0|1,0,0]=3 532 B12R2.24 BrC1=CN=C2CCNCC2=C1 PHB00087 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.24 CC1=CC=C2CCCNC2=N1 CDS020000 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [0,1,0,1,0,0|1,0,0]=3 535 B12R2.24 ClC1=CC=C2CNCCC2=C1 CDS020263 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [0,1,0,1,0,0|1,0,0]=3 537 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [0,1,0,1,0,0|1,0,0]=3 538 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [0,1,0,1,0,0|0,0,0]=2 539 B12R2.24 OC1=CC=C2OCCOC2=C1 CBR01871 [0,1,0,1,0,0|1,0,0]=3 540 B12R2.24 OC1=CN=C2OCCCC2=C1 ADE001447 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.24 OC1=CN=C2OCCOC2=C1 ADE000034 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.132 NC1CCC2=CC=C(C=C12)Cl CDS009346 [0,1,0,1,0,0|1,0,0]=3 544 B12R2.2302 FC1=CC=C(C=C1)C2CNC2 CDS020373 [0,1,0,1,0,0|1,0,0]=3 545 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,1,0,1,0,0|1,0,1]=4 546 B12R2.290 CC1=CC=C(C=C1)C2(CC2)N CBR00914 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Br CDS022491 [0,1,0,1,0,0|2,0,0]=4 548 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Cl OTV000620 [0,1,0,1,0,0|2,0,0]=4 549 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F OTV000627 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F TMT00304 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.44 NNC1=CC2=C(C=C1)CCC2 CBR00796 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 CDS009176 [0,1,0,1,0,0|1,0,1]=4 556 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.44 OCC1=CC=C2C=NNC2=C1 PHB00052 [0,1,0,1,0,0|1,0,1]=4 558 B12R2.82 CC1=C(C2=C(C=C1)CCC2)O T164534 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [0,1,0,1,0,0|0,0,2]=4 560 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [1,0,0,0,1,0|2,0,0]=4 561 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [1,0,0,0,1,0|2,0,0]=4 562 B8R1.8 CCCN1C=CC=C1 PH010280 [1,0,0,0,1,0|2,0,0]=4 563 B8R1.8 NCCC1=CC=CO1 CBR02448 [1,0,0,0,1,0|1,0,0]=3 564 B8R1.8 NCCN1C=CC=N1 CDS008012 [1,0,0,0,1,0|2,0,0]=4 565 B8R1.8 NNCC1=CC=CS1 CBR01534 [1,0,0,0,1,0|2,0,0]=4 566 B8R1.8 OCCN1C=CC=C1 CDS000018 [1,0,0,0,1,0|2,0,0]=4